7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one

C15H19N3O2 — CID 22427099

IUPAC7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC1CCN(C(=O)c2ccc3c(c2)NC(=O)CN3)CC1
InChIInChI=1S/C15H19N3O2/c1-10-4-6-18(7-5-10)15(20)11-2-3-12-13(8-11)17-14(19)9-16-12/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,19)
InChIKeyPAQOCWMQLUGVLB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds1

About 7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one

7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 22427099) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID22427099
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC1CCN(C(=O)c2ccc3c(c2)NC(=O)CN3)CC1
InChIInChI=1S/C15H19N3O2/c1-10-4-6-18(7-5-10)15(20)11-2-3-12-13(8-11)17-14(19)9-16-12/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,19)
InChIKeyPAQOCWMQLUGVLB-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 22427099) is 7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one is CC1CCN(C(=O)c2ccc3c(c2)NC(=O)CN3)CC1.
What is the InChIKey of 7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is PAQOCWMQLUGVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-4-6-18(7-5-10)15(20)11-2-3-12-13(8-11)17-14(19)9-16-12/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,19).
What are the key properties of 7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one?
7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 22427099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).